Ab initio and in situ comparison of caffeine, triclosan, and triclocarban as indicators of sewage-derived microbes in surface waters
Ab initio and in situ comparison of caffeine, triclosan, and triclocarban as indicators of sewage-derived microbes in surface waters
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DOI：
10.1021/es702591r
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发表时间：
2008-05-01
影响因子：
11.4
通讯作者：
Halden, Rolf U.
中科院分区：
文献类型：
--
作者：
Young, Thayer A.;Heidler, Jochen;Halden, Rolf U.
对三种有机废水化合物(OWCs)在地表水中示踪污水微生物污染物的潜力进行了理论和实践评价。潜在的假设是，疏水OWCs作为化学示踪剂的表现优于咖啡因，因为它们与代表颗粒有机碳(POC)的悬浮微生物具有吸附作用。环境条件下OWC对POC吸附的第一性原理模拟表明：咖啡因(0.2%的吸附)和lt；三氯生(9-60%；pH 6-9)和lt；三氯卡班(76%)的预测能力增加。通过分析马里兰州巴尔的摩从乡村到城市的三个分水岭的地表水，获得了经验证据。质谱学OWC检测与14条河流上40个监测点的微生物平板计数相关联，其中包括多个长期污水排放点和当地污水处理厂。与从头计算一致，对104个天然地表水中粪大肠菌群、肠球菌和大肠杆菌的相关分析表明，颗粒活性抗菌剂三氯生和三氯卡班(R-2范围为0.45-0.55)在微生物指标跟踪方面确实优于咖啡因(0.16-0.37)。结论是，当使用疏水性有机化合物，如三氯生和三氯卡班来代替传统的标记咖啡因或与其结合使用时，对微生物风险的化学监测更有效。
Three organic wastewater compounds (OWCs) were evaluated in theory and practice for their potential to trace sewage-derived microbial contaminants in surface waters. The underlying hypothesis was that hydrophobic OWCs outperform caffeine as a chemical tracer, due to their sorptive association with suspended microorganisms representing particulate organic carbon (POC). Modeling from first principles lab initio) of OWC sorption to POC under environmental conditions suggested an increasing predictive power: caffeine (0.2% sorbed) < triclosan (9-60%; pH 6-9) < triclocarban (76%). Empirical evidence was obtained via analysis of surface water from three watersheds in a rural-to-urban gradient in Baltimore, MD. Mass spectrometric OWC detections were correlated to microbial plate counts for 40 monitoring sites along 14 streams, including multiple chronic sewage release sites and the local wastewater treatment plant. Consistent with ab initio calculations, correlation analyses of 104 observations for fecal coliforms, enterococci, and Escherichia coli in natural surface waters showed that the particle-active antimicrobials triclosan and triclocarban (R-2 range, 0.45-0.55) were indeed superior to caffeine (0.16-0.37) for tracking of microbial indicators. It is concluded that chemical monitoring of microbial risks is more effective when using hydrophobic OWCs such as triclosan and triclocarban in place of, or in conjunction with, the traditional marker caffeine.